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(Meso)-cis-tert.-butyl-6-[[1-oxo-cis-2,5-diphenyl-1-lambda(5)-phospholan-1-yl]-oxy]-hexanoate
SpectraBase Compound ID 8RNOlbfXZTu
InChI InChI=1S/C26H35O4P/c1-26(2,3)30-25(27)17-11-6-12-20-29-31(28)23(21-13-7-4-8-14-21)18-19-24(31)22-15-9-5-10-16-22/h4-5,7-10,13-16,23-24H,6,11-12,17-20H2,1-3H3/t23-,24+,31+
InChIKey LFZQHRGPCHTCGD-NGBRXVAQSA-N
Mol Weight 442.5 g/mol
Molecular Formula C26H35O4P
Exact Mass 442.227297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoFQhi5CZjx
Name (Meso)-cis-tert.-butyl-6-[[1-oxo-cis-2,5-diphenyl-1-lambda(5)-phospholan-1-yl]-oxy]-hexanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.227296601 u
Formula C26H35O4P
InChI InChI=1S/C26H35O4P/c1-26(2,3)30-25(27)17-11-6-12-20-29-31(28)23(21-13-7-4-8-14-21)18-19-24(31)22-15-9-5-10-16-22/h4-5,7-10,13-16,23-24H,6,11-12,17-20H2,1-3H3/t23-,24+,31+
InChIKey LFZQHRGPCHTCGD-NGBRXVAQSA-N
Molecular Weight 442.536 g/mol
SMILES [C@@]1([P@]([C@@](CC1)(C1=CC=CC=C1)[H])(=O)OCCCCCC(=O)OC(C)(C)C)(C1=CC=CC=C1)[H]